Geometry & MOs

Info

ID:	187807
PubChem CID:	77627505
Reduced:	N3O4C31H39 (1)
Stoich.:	A3B4C31D39 (1)
Weight, g/mol:	547.329774
ΔH_f, kcal/mol:	-123.79
Dipole, Da:	2.76
IP(EA), eV:	-8.0(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(dibutylamino)-3-[4-(2,2-dimethoxy-3-phenyl-3,4-dihydrochromen-4-yl)phenoxy]propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC(CC(C)C)C(=O)NC(CNC2=CC=C(C=C2)OC)COCC3=CC=CC=C3

DOS

IR

Vibrations